[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone

C26H24ClFN4O2 — CID 129225877

IUPAC[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)CC1
InChIInChI=1S/C26H24ClFN4O2/c1-34-23-10-9-20(28)16-21(23)26(33)31-14-12-30(13-15-31)17-22-25(18-5-7-19(27)8-6-18)29-24-4-2-3-11-32(22)24/h2-11,16H,12-15,17H2,1H3
InChIKeyCAYLWTRKCYVMSQ-UHFFFAOYSA-N
MW478.96 g/mol
LogP4.76
Rot. Bonds5

About [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone

[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone (PubChem CID 129225877) has the molecular formula C26H24ClFN4O2 and a molecular weight of 478.96 g/mol. Its IUPAC name is [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone
PubChem CID129225877
Molecular FormulaC26H24ClFN4O2
Molecular Weight478.96 g/mol
Exact Mass478.16
IUPAC Name[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)CC1
InChIInChI=1S/C26H24ClFN4O2/c1-34-23-10-9-20(28)16-21(23)26(33)31-14-12-30(13-15-31)17-22-25(18-5-7-19(27)8-6-18)29-24-4-2-3-11-32(22)24/h2-11,16H,12-15,17H2,1H3
InChIKeyCAYLWTRKCYVMSQ-UHFFFAOYSA-N
XLogP4.76
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.96
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Telacebec
CID 68234908
2-(4-Chlorophenyl)-5-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)furo[3,2-c]pyridin-4(5H)-one
CID 71816518
[4-[[2-(4-Chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(trifluoromethyloxy)pyridin-2-yl]methanone
CID 129225985
N-Butyl-2-(6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl)-N-methylacetamide
CID 24945827
2-(6,8-Dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl)-N-methyl-N-phenylacetamide
CID 24945828
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68235029
(18F)Pbr 111
CID 24944913
Aminoimidazo[1,2-a]pyridine deriv. 10
CID 5330632
2-(6,8-Dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide
CID 25140330
2-[6-chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 168289645
Benzimidazol-1-yl-(5-chloro-2-methoxyphenyl)methanone
CID 718197
2-ethoxy-N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)benzamide
CID 7080312

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone?
The IUPAC name of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone (CID 129225877) is [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone.
What is the SMILES notation for [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone?
The canonical SMILES for [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone is COc1ccc(F)cc1C(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)CC1.
What is the InChIKey of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone?
The InChIKey is CAYLWTRKCYVMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN4O2/c1-34-23-10-9-20(28)16-21(23)26(33)31-14-12-30(13-15-31)17-22-25(18-5-7-19(27)8-6-18)29-24-4-2-3-11-32(22)24/h2-11,16H,12-15,17H2,1H3.
What are the key properties of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone?
[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone has a molecular weight of 478.96 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone is sourced from PubChem (CID 129225877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).